SCHEMBL17458262

SCHEMBL17458262

Cc1nccn1CCOc1cccc2nc([C@H](C)N)n(-c3ccccc3)c(=O)c12

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 17/20 0.66
PIK3R1 P27986 4/20 0.40
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17458264 1.00 PIK3CD (0.66) PIK3CDPIK3R1KCNH2HRH3
SCHEMBL17458151 0.89 PIK3CD (0.68) PIK3CD
SCHEMBL17458351 0.82 PIK3CD (0.66) PIK3CDKCNH2HRH3
SCHEMBL17458105 0.82 PIK3CD (0.66) PIK3CDKCNH2HRH3
SCHEMBL17458327 0.82 PIK3CD (0.66) PIK3CDKCNH2HRH3
SCHEMBL17458329 0.82 PIK3CD (0.66) PIK3CDKCNH2HRH3
SCHEMBL17458349 0.82 PIK3CD (0.66) PIK3CDKCNH2HRH3
SCHEMBL17458104 0.82 PIK3CD (0.66) PIK3CDKCNH2HRH3
SCHEMBL17458473 0.81 PIK3CD (0.48) PIK3CDPIK3R1
SCHEMBL17458471 0.81 PIK3CD (0.48) PIK3CDPIK3R1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3160960-B1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES INC (US) 2021-10-13 EP disclosed
US-20180065953-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-03-08 US disclosed
US-9765060-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD SCIENCES, INC. (US) 2017-09-19 US disclosed
US-20160024054-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2016-01-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180065953-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, PIK3R5, PIK3R4 PIK3CD 8/4885PIK3R1 4/4885KCNH2 1754/4885
US-20160024054-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3R5, PIK3R4, PIK3CA PIK3CD 9/4885PIK3R1 4/4885KCNH2 1742/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.